1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol

C16H18FNO — CID 82121199

IUPAC1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol
SMILESCc1ccc(C(O)CNc2ccccc2F)cc1C
InChIInChI=1S/C16H18FNO/c1-11-7-8-13(9-12(11)2)16(19)10-18-15-6-4-3-5-14(15)17/h3-9,16,18-19H,10H2,1-2H3
InChIKeyWHZCZUHPTWFNAM-UHFFFAOYSA-N
MW259.32 g/mol
LogP3.59
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol

1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol (PubChem CID 82121199) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol
PubChem CID82121199
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol
SMILESCc1ccc(C(O)CNc2ccccc2F)cc1C
InChIInChI=1S/C16H18FNO/c1-11-7-8-13(9-12(11)2)16(19)10-18-15-6-4-3-5-14(15)17/h3-9,16,18-19H,10H2,1-2H3
InChIKeyWHZCZUHPTWFNAM-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-3-methylphenyl)-2-(2-methylanilino)ethanol
CID 82121205
2-(3,5-dimethylanilino)-1-(3,4-dimethylphenyl)ethanol
CID 82123660
2-(3,4-dimethylanilino)-1-(4-fluorophenyl)ethanol
CID 60720002
1-(3,4-dimethylphenyl)-3-(2-fluoroanilino)propan-1-one
CID 94281167
2-(3-bromo-2-methylanilino)-1-(3,4-difluorophenyl)ethanol
CID 107633844
2-(2,3-difluoroanilino)-1-(4-fluorophenyl)ethanol
CID 61076629
2-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
2-(2-fluoro-4-methylanilino)-1-(3-fluorophenyl)ethanol
CID 60900960
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-(4-fluoro-2-methylanilino)-1-(4-fluorophenyl)ethanol
CID 60721085
3-[[2-(3,4-difluorophenyl)-2-hydroxyethyl]amino]-4-methylbenzonitrile
CID 62104481
1-(3-fluorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644735

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol (CID 82121199) is 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol is Cc1ccc(C(O)CNc2ccccc2F)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol?
The InChIKey is WHZCZUHPTWFNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-11-7-8-13(9-12(11)2)16(19)10-18-15-6-4-3-5-14(15)17/h3-9,16,18-19H,10H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol?
1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol has a molecular weight of 259.32 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-(2-fluoroanilino)ethanol is sourced from PubChem (CID 82121199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).